1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone Openeye Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-ethanone CAS Name: 1-[4-(3-chlorophenyl)-1-piperazinyl]-2-[(4-nitrophenyl)thio]ethanone IUPAC Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylethanone Traditional Name: 1-[4-(3-chlorophenyl)piperazino]-2-[(4-nitrophenyl)thio]ethanone Formula: C18H18ClN3O3S MolecularWeight: 391.87182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O3S/c19-14-2-1-3-16(12-14)20-8-10-21(11-9-20)18(23)13-26-17-6-4-15(5-7-17)22(24)25/h1-7,12H,8-11,13H2